2-fluoro-N-(4-phenylbutyl)-5-sulfamoylbenzamide

• ChemBase ID: 491173
• Molecular Formular: C17H19FN2O3S
• Molecular Mass: 350.4077632
• Monoisotopic Mass: 350.1100417
• SMILES: S(=O)(=O)(c1cc(C(=O)NCCCCc2ccccc2)c(cc1)F)N
• Canonical SMILES: O=C(c1cc(ccc1F)S(=O)(=O)N)NCCCCc1ccccc1
• InChI: InChI=1S/C17H19FN2O3S/c18-16-10-9-14(24(19,22)23)12-15(16)17(21)20-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,20,21)(H2,19,22,23)
• InChIKey: PCQBYOROWUYVFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-N-(4-phenylbutyl)-5-sulfamoylbenzamide
• IUPAC Traditional name: 2-fluoro-N-(4-phenylbutyl)-5-sulfamoylbenzamide
• Synonyms: 5-(aminosulfonyl)-2-fluoro-N-(4-phenylbutyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.551668
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.6985323
• LogD (pH = 7.4): 2.6958637
• Log P: 2.6985664
• Molar Refractivity: 90.977 cm^3
• Polarizability: 35.02438 Å^3
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.61
• LOG S: -3.98
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 7